3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine

C11H16BrNOS — CID 79465915

IUPAC3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine
SMILESNC1CCCC(OCc2ccc(Br)s2)C1
InChIInChI=1S/C11H16BrNOS/c12-11-5-4-10(15-11)7-14-9-3-1-2-8(13)6-9/h4-5,8-9H,1-3,6-7,13H2
InChIKeyGNUCMCSFFDEQKS-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.30
Rot. Bonds3

About 3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine

3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine (PubChem CID 79465915) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine
PubChem CID79465915
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine
SMILESNC1CCCC(OCc2ccc(Br)s2)C1
InChIInChI=1S/C11H16BrNOS/c12-11-5-4-10(15-11)7-14-9-3-1-2-8(13)6-9/h4-5,8-9H,1-3,6-7,13H2
InChIKeyGNUCMCSFFDEQKS-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine?
The IUPAC name of 3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine (CID 79465915) is 3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine is NC1CCCC(OCc2ccc(Br)s2)C1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine?
The InChIKey is GNUCMCSFFDEQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c12-11-5-4-10(15-11)7-14-9-3-1-2-8(13)6-9/h4-5,8-9H,1-3,6-7,13H2.
What are the key properties of 3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine?
3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine is sourced from PubChem (CID 79465915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).